General Information of the Compound
Compound ID
CP0394294
Compound Name
CHEBI:35045
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Synonyms
10-Hendecenoic
10-Hendecenoic acid
10-Henedecenoic acid
10-UNDECENOIC ACID
10-Undecylenic acid
112-38-9
9-Undecylenic acid
Caswell No. 901
Declid
Desenex
Desenex solution
Desenex, solution
Hendecenoic acid, omega-
Kyselina undecylenova
Kyselina undecylenova [Czech]
NSC 2013
PMID25399719-Compound-61
Renselin
Sevinon
UNDECEN-10-ACID-1
UNII-K3D86KJ24N
Undec-10-enoic acid
Undecenoic acid
Undecenoic acid, omega-
Undecyl-10-enic acid
Undecylenic Acids
Undecylenic acid
Undecylenic acid [JAN]
Undecylenic acid derivative 1
n-Undecylenic acid
omega-undecenoic acid
undecylenic acid
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Structure
Formula
C11H20O2
Molecular Weight
184.279
Canonical SMILES
OC(=O)CCCCCCCCC=C
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InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
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InChIKey
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
CAS
112-38-9
1333-28-4
Physicochemical Property
logP
3.3778
Rotatable Bonds
9
Heavy Atom Count
13
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5634
SID: 15171399
ChEMBL ID
CHEMBL1276010
DrugBank ID
DB11117
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 63900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Undecylenic acid derivative 1 )
Drug Name Undecylenic acid derivative 1
Company EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION KWON, Young Joo
Target(s)
Calpain-1 (CAPN1)
 Target Info 
-
Drug 2 ( Undecylenic acid )
Drug Name Undecylenic acid
Indication
Dermatitis
Approved